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2016 | 129 | 3 | 329-333
Article title

First-Principle Study of Structural, Elastic Anisotropic, and Thermodynamic Properties of P4̅m2-BC₇

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EN
Abstracts
EN
The structural, elastic anisotropy and thermodynamic properties of the P4̅m2-BC₇ are investigated using first-principles density functional calculations and the quasi-harmonic Debye model. The obtained structural parameters and elastic modulus are in consistency with the available theoretical data. Elastic constants calculations show that P4̅m2-BC₇ is elastic anisotropic. The bulk modulus as well as other thermodynamic quantities of P4̅m2-BC₇ (including the Grüneisen constant, heat capacity and thermal expansion) on temperatures and pressures have also been obtained.
Keywords
EN
Publisher

Year
Volume
129
Issue
3
Pages
329-333
Physical description
Dates
published
2016-03
received
2014-11-24
(unknown)
2016-01
Contributors
author
  • School of Microelectronics, Xidian University, Xi'an 710071, PR China
author
  • School of Physics and Optoelectronic Engineering, Xidian University, Xi'an 710071, PR China
author
  • School of Physics and Optoelectronic Engineering, Xidian University, Xi'an 710071, PR China
author
  • School of Microelectronics, Xidian University, Xi'an 710071, PR China
author
  • School of Microelectronics, Xidian University, Xi'an 710071, PR China
author
  • Department of Electronic and Information Engineering, Ankang University, Ankang 725000, PR China
author
  • School of Microelectronics, Xidian University, Xi'an 710071, PR China
author
  • National Supercomputing Center in Shenzhen, Shenzhen 518055, PR China
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv129n312kz
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